mailr6616 - /1.3/test_suite/system_tests/nmrview.py


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Posted by edward on July 03, 2008 - 21:18:
Author: bugman
Date: Thu Jul  3 21:18:09 2008
New Revision: 6616

URL: http://svn.gna.org/viewcvs/relax?rev=6616&view=rev
Log:
Wrote a system test for the loading of NMRView peak lists.

This comes from Ryan Hoffman's (https://gna.org/users/rydog) feature request 
attached to bug #11913
(https://gna.org/bugs/index.php?11913).


Modified:
    1.3/test_suite/system_tests/nmrview.py

Modified: 1.3/test_suite/system_tests/nmrview.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/test_suite/system_tests/nmrview.py?rev=6616&r1=6615&r2=6616&view=diff
==============================================================================
--- 1.3/test_suite/system_tests/nmrview.py (original)
+++ 1.3/test_suite/system_tests/nmrview.py Thu Jul  3 21:18:09 2008
@@ -41,3 +41,19 @@
         """Reset the relax data storage object."""
 
         ds.__reset__()
+
+
+    def test_read_peak_list(self):
+        """Test the reading of an NMRView peak list."""
+
+        # Create the sequence data, and name the spins.
+        self.relax.interpreter._Residue.create(70)
+        self.relax.interpreter._Residue.create(72)
+        self.relax.interpreter._Spin.name(name='N')
+
+        # Read the peak list.
+        self.relax.interpreter._Relax_fit.read(file="cNTnC.xpk", 
dir=sys.path[-1] + "/test_suite/shared_data/peak_lists", relax_time=0.0176)
+
+        # Test the data.
+        
self.assertEqual(ds[ds.current_pipe].mol[0].res[0].spin[0].intensities[0], 
-6.88333129883)
+        
self.assertEqual(ds[ds.current_pipe].mol[0].res[1].spin[0].intensities[0], 
-5.49038267136)




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